Basic information
- CAS
150145-89-4- Standard SMILES
C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1- InChIKey
DNCAZYRLRMTVSF-JTQLQIEISA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Overview
(S)-alpha-methyl-4-carboxyphenylglycine is a non-proteinogenic alpha-amino acid that is alanine in which the alpha-hydrogen is replaced by a 4-carboxyphenyl group (the S-enantiomer). It is a non-selective group I/group II metabotropic glutamate receptor (mGluR) antagonist. It has a role as a metabotropic glutamate receptor antagonist.
Names & identifiers
- Preferred name
- (S)-alpha-methyl-4-carboxyphenylglycine
- IUPAC
- 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
- English name
- (S)-alpha-Methyl-4-carboxyphenylglycine
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
(S)-MCPG150145-89-4(+)-MCPG4-[(1S)-1-amino-1-carboxyethyl]benzoic acid(S)-ALPHA-METHYL-4-CARBOXYPHENYLGLYCINE(+)-alpha-Methyl-4-carboxyphenylglycine(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE61F6J48NHR(S)-a-methyl-4-carboxyphenylglycine(S)-(+)-alpha-methyl-4-carboxyphenylglycine(S)-(+)-alpha-amino-4-carboxy-2-methylbenzeneaceticalpha-Methyl-4-carboxyphenylglycine, (+)-
Show more names
(S)MCPG,(S) MCPG(alphaS)-alpha-Amino-4-Carbo(+)-α-methyl-4-carboxyphenylglycine(S)-α-Methyl-4-carboxyphenylglycine(S)-ALFA-METHYL-4-CARBOXYPHENYLGLYCINE(S)-MCPG, Group I / II mGlu antagonist
alpha-Methyl-4-carboxyphenylglycine, (S)-DTXSID2042567CHEBI:43876Benzeneacetic acid, alpha-amino-4-carboxy-alpha-methyl-, (alphaS)-(alphaS)-alpha-Amino-4-carboxy-alpha-methylbenzeneacetic acid4-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]benzoic acid(+)-.ALPHA.-METHYL-4-CARBOXYPHENYLGLYCINE.ALPHA.-METHYL-4-CARBOXYPHENYLGLYCINE, (S)-
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 425.3 · 425.3±40.0 °C(Predicted)
- Density
- 1.39 · 1.390±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 0.1 M · 0.1 M NaOH: 15 mg/mL
- form
- solid
- pka
- 1.76 · 1.76±0.10(Predicted)
- color
- White to off-white
- optical activity
- 20 · [α]20/D +89.54°, c = 0.33 in 6 M HCl(lit.)
- InChI
- 1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1
- InChIKey
- DNCAZYRLRMTVSF-JTQLQIEISA-M
- FDA UNII
- 61 F6J48NHR · 61F6J48NHR
- UNSPSC Code
- 12352209 · 12352209
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29224985
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesActive enantiomer of (±)-MCPG
Suppliers34 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Ascent Scientific4401179829988 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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